SCHEMBL13421283

SCHEMBL13421283

COc1ccc(CN(c2cc(Cl)nn3c(N)cnc23)C2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 15/20 0.39
▸ MAP4K3 Q8IVH8 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20504495 0.86 PDE1B (0.38) PDE1BCCR5
SCHEMBL2358590 0.85 PDE1B (0.37) PDE1BPDE10ACCR5
SCHEMBL12012887 0.83 PDE1B (0.40) PDE1BCCR5
SCHEMBL3311090 0.83 PDE1B (0.40) PDE1BPDE10ACCR5
SCHEMBL20504499 0.82 MAPT (0.39) PDE1B
SCHEMBL13421525 0.82 EGFR (0.38) PDE1B
SCHEMBL13421496 0.81 PIK3CD (0.35) PDE1BMAP4K3
SCHEMBL13422031 0.80 SMN1; SMN2 (0.36) PDE1BPI4KB
SCHEMBL13422048 0.79 CNR2 (0.37) PDE1B
SCHEMBL3723311 0.78 MALT1 (0.37) PDE1BCCR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010042699-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 — — WO disclosed
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